General Information of the Compound
| Compound ID |
CP0416846
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| Compound Name |
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10,16-dioxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17(25),18,20(24),21-pentaene-4-carboxamide
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| Structure |
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| Formula |
C38H50N4O9S
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| Molecular Weight |
738.904
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| Canonical SMILES |
CO[C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCCCCCOc1ccc3ccc2cc3c1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1
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| InChI |
InChI=1S/C38H50N4O9S/c1-36(2,3)31-33(44)42-22-37(49-4,26-12-10-23-11-13-27(19-25(23)18-26)50-16-6-5-7-17-51-35(46)39-31)21-30(42)32(43)40-38(20-29(38)24-8-9-24)34(45)41-52(47,48)28-14-15-28/h10-13,18-19,24,28-31H,5-9,14-17,20-22H2,1-4H3,(H,39,46)(H,40,43)(H,41,45)/t29-,30-,31+,37-,38+/m0/s1
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| InChIKey |
VMXUBYJLPFGVSV-KLGSMFRYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound